General Information of the Compound
| Compound ID |
CP0438134
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| Compound Name |
2-[4-[[2-butyl-4-chloro-5-[[[5-methyl-2-(sulfanylmethyl)hexanoyl]amino]methyl]imidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C30H38ClN3O3S
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| Molecular Weight |
556.172
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| Canonical SMILES |
CCCCc1nc(Cl)c(CNC(=O)C(CS)CCC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C30H38ClN3O3S/c1-4-5-10-27-33-28(31)26(17-32-29(35)23(19-38)14-11-20(2)3)34(27)18-21-12-15-22(16-13-21)24-8-6-7-9-25(24)30(36)37/h6-9,12-13,15-16,20,23,38H,4-5,10-11,14,17-19H2,1-3H3,(H,32,35)(H,36,37)
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| InChIKey |
BXEKJAAOIPQIDR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound